Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 20-AUG-14 4R55 TITLE THE CRYSTAL STRUCTURE OF A CREN7 MUTANT PROTEIN GR AND DSDNA COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHROMATIN PROTEIN CREN7; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3'); COMPND 8 CHAIN: B, C; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; SOURCE 3 ORGANISM_TAXID: 273057; SOURCE 4 GENE: CREN7, SSO6901; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSETTA 2 (DE3) PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET30A; SOURCE 10 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES; SOURCE 12 ORGANISM_SCIENTIFIC: SYNTHETIC; SOURCE 13 ORGANISM_TAXID: 32630 KEYWDS BETA-SHEET, DNA BINDING, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR Z.F.ZHANG,Y.GONG,Y.Y.CHEN,H.B.LI,L.HUANG REVDAT 1 05-AUG-15 4R55 0 JRNL AUTH Z.F.ZHANG,Y.GONG,Y.Y.CHEN,H.B.LI,L.HUANG JRNL TITL INSIGHTS INTO THE INTERACTION BETWEEN CREN7 AND DNA: THE JRNL TITL 2 ROLE OF LOOP BETA 3-BETA 4 JRNL REF EXTREMOPHILES V. 19 395 2015 JRNL REFN ISSN 1431-0651 JRNL PMID 25555709 JRNL DOI 10.1007/S00792-014-0725-Y REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0032 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 17.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 3 NUMBER OF REFLECTIONS : 8922 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.220 REMARK 3 R VALUE (WORKING SET) : 0.219 REMARK 3 FREE R VALUE : 0.252 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 448 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.84 REMARK 3 REFLECTION IN BIN (WORKING SET) : 633 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.23 REMARK 3 BIN R VALUE (WORKING SET) : 0.2010 REMARK 3 BIN FREE R VALUE SET COUNT : 34 REMARK 3 BIN FREE R VALUE : 0.2710 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 423 REMARK 3 NUCLEIC ACID ATOMS : 322 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 72 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 12.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 12.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.01000 REMARK 3 B22 (A**2) : 0.02000 REMARK 3 B33 (A**2) : -0.02000 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.152 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.140 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.092 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.857 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.927 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.893 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 795 ; 0.016 ; 0.015 REMARK 3 BOND LENGTHS OTHERS (A): 627 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1138 ; 1.714 ; 1.604 REMARK 3 BOND ANGLES OTHERS (DEGREES): 1470 ; 1.091 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 52 ; 7.525 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 15 ;27.634 ;23.333 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 83 ;10.677 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 2 ;18.278 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 109 ; 0.104 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 646 ; 0.016 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 158 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 211 ; 1.241 ; 1.144 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 210 ; 1.242 ; 1.141 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 262 ; 1.895 ; 1.704 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 263 ; 1.893 ; 1.706 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 584 ; 1.531 ; 1.237 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 583 ; 1.532 ; 1.237 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 876 ; 2.334 ; 1.807 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 993 ; 3.438 ;10.341 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 964 ; 3.423 ;10.228 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4R55 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-SEP-14. REMARK 100 THE RCSB ID CODE IS RCSB086911. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-MAY-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9402 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 6.700 REMARK 200 R MERGE (I) : 0.05100 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 40.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.0 REMARK 200 DATA REDUNDANCY IN SHELL : 6.60 REMARK 200 R MERGE FOR SHELL (I) : 0.08400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 25.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 3LWH REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.61 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M NH4AC, 0.01M MGAC2, 0.05M SODIUM REMARK 280 CACODYLATE TRIHYDRATE, 30% PEG 8000, PH 6.5, VAPOR DIFFUSION, REMARK 280 SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 21.24750 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.13900 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 20.89500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.13900 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.24750 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 20.89500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 SER A 2 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3LWH RELATED DB: PDB REMARK 900 RELATED ID: 3LWI RELATED DB: PDB REMARK 900 RELATED ID: 4R56 RELATED DB: PDB DBREF 4R55 A 1 55 UNP Q97ZE3 CREN7_SULSO 1 60 DBREF 4R55 B 101 108 PDB 4R55 4R55 101 108 DBREF 4R55 C 109 116 PDB 4R55 4R55 109 116 SEQADV 4R55 A UNP Q97ZE3 ALA 29 DELETION SEQADV 4R55 A UNP Q97ZE3 PRO 30 DELETION SEQADV 4R55 A UNP Q97ZE3 LYS 31 DELETION SEQADV 4R55 A UNP Q97ZE3 LYS 34 DELETION SEQADV 4R55 A UNP Q97ZE3 GLY 35 DELETION SEQRES 1 A 55 MET SER SER GLY LYS LYS PRO VAL LYS VAL LYS THR PRO SEQRES 2 A 55 ALA GLY LYS GLU ALA GLU LEU VAL PRO GLU LYS VAL TRP SEQRES 3 A 55 ALA LEU GLY ARG VAL LYS ILE GLY LEU PHE LYS ASP PRO SEQRES 4 A 55 GLU THR GLY LYS TYR PHE ARG HIS LYS LEU PRO ASP ASP SEQRES 5 A 55 TYR PRO ILE SEQRES 1 B 8 DG DT DG DA DT DC DA DC SEQRES 1 C 8 DG DT DG DA DT DC DA DC FORMUL 4 HOH *72(H2 O) SHEET 1 A 2 VAL A 8 LYS A 11 0 SHEET 2 A 2 GLU A 17 LEU A 20 -1 O ALA A 18 N VAL A 10 SHEET 1 B 3 LYS A 24 LEU A 28 0 SHEET 2 B 3 VAL A 31 LYS A 37 -1 O VAL A 31 N LEU A 28 SHEET 3 B 3 TYR A 44 LYS A 48 -1 O PHE A 45 N PHE A 36 CRYST1 42.495 41.790 54.278 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.023532 0.000000 0.000000 0.00000 SCALE2 0.000000 0.023929 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018424 0.00000 ATOM 1 N SER A 3 40.245 65.533 2.070 1.00 23.24 N ATOM 2 CA SER A 3 41.118 66.659 2.540 1.00 23.19 C ATOM 3 C SER A 3 42.247 66.089 3.459 1.00 21.51 C ATOM 4 O SER A 3 42.128 64.959 4.009 1.00 21.78 O ATOM 5 CB SER A 3 40.291 67.729 3.256 1.00 26.20 C ATOM 6 OG SER A 3 39.957 67.289 4.540 1.00 26.44 O ATOM 7 N GLY A 4 43.335 66.836 3.620 1.00 15.37 N ATOM 8 CA GLY A 4 44.458 66.257 4.343 1.00 14.57 C ATOM 9 C GLY A 4 44.295 66.138 5.840 1.00 11.81 C ATOM 10 O GLY A 4 43.720 66.974 6.507 1.00 10.72 O ATOM 11 N LYS A 5 44.914 65.096 6.396 1.00 10.18 N ATOM 12 CA LYS A 5 45.096 65.035 7.810 1.00 9.64 C ATOM 13 C LYS A 5 46.047 66.147 8.344 1.00 10.06 C ATOM 14 O LYS A 5 46.911 66.681 7.629 1.00 9.71 O ATOM 15 CB LYS A 5 45.637 63.678 8.194 1.00 9.45 C ATOM 16 CG LYS A 5 44.617 62.545 8.039 1.00 9.18 C ATOM 17 CD LYS A 5 43.511 62.504 9.101 1.00 9.06 C ATOM 18 CE LYS A 5 43.967 62.266 10.539 1.00 9.64 C ATOM 19 NZ LYS A 5 42.777 62.016 11.411 1.00 9.72 N ATOM 20 N LYS A 6 45.921 66.388 9.636 1.00 9.47 N ATOM 21 CA LYS A 6 46.792 67.315 10.365 1.00 9.40 C ATOM 22 C LYS A 6 48.259 66.873 10.178 1.00 9.91 C ATOM 23 O LYS A 6 48.577 65.721 10.377 1.00 9.75 O ATOM 24 CB LYS A 6 46.450 67.241 11.872 1.00 9.56 C ATOM 25 CG LYS A 6 47.161 68.219 12.824 1.00 9.77 C ATOM 26 CD LYS A 6 46.610 67.890 14.224 1.00 11.64 C ATOM 27 CE LYS A 6 47.094 68.735 15.353 1.00 13.31 C ATOM 28 NZ LYS A 6 46.441 68.237 16.654 1.00 13.68 N ATOM 29 N PRO A 7 49.135 67.794 9.796 1.00 11.23 N ATOM 30 CA PRO A 7 50.559 67.467 9.718 1.00 11.55 C ATOM 31 C PRO A 7 51.135 67.062 11.036 1.00 13.23 C ATOM 32 O PRO A 7 50.636 67.492 12.100 1.00 13.40 O ATOM 33 CB PRO A 7 51.190 68.796 9.330 1.00 12.53 C ATOM 34 CG PRO A 7 50.103 69.527 8.676 1.00 12.43 C ATOM 35 CD PRO A 7 48.872 69.185 9.386 1.00 11.44 C ATOM 36 N VAL A 8 52.165 66.227 11.010 1.00 12.40 N ATOM 37 CA VAL A 8 52.853 65.800 12.212 1.00 14.87 C ATOM 38 C VAL A 8 54.360 65.667 11.971 1.00 13.04 C ATOM 39 O VAL A 8 54.816 65.306 10.889 1.00 13.13 O ATOM 40 CB VAL A 8 52.321 64.488 12.741 1.00 16.50 C ATOM 41 CG1 VAL A 8 52.522 63.463 11.707 1.00 16.01 C ATOM 42 CG2 VAL A 8 52.977 64.100 14.079 1.00 17.48 C ATOM 43 N LYS A 9 55.102 66.055 12.980 1.00 14.96 N ATOM 44 CA LYS A 9 56.611 65.991 12.913 1.00 14.67 C ATOM 45 C LYS A 9 57.013 64.554 13.157 1.00 13.75 C ATOM 46 O LYS A 9 56.758 63.980 14.237 1.00 12.79 O ATOM 47 CB LYS A 9 57.222 66.899 13.966 1.00 18.88 C ATOM 48 CG LYS A 9 56.911 68.398 13.737 1.00 22.73 C ATOM 49 CD LYS A 9 57.541 68.958 12.454 1.00 24.53 C ATOM 50 CE LYS A 9 59.064 68.943 12.597 1.00 31.76 C ATOM 51 NZ LYS A 9 59.875 68.981 11.322 1.00 31.44 N ATOM 52 N VAL A 10 57.617 63.932 12.134 1.00 13.08 N ATOM 53 CA VAL A 10 58.087 62.563 12.233 1.00 13.32 C ATOM 54 C VAL A 10 59.562 62.533 11.853 1.00 13.90 C ATOM 55 O VAL A 10 60.046 63.511 11.267 1.00 15.64 O ATOM 56 CB VAL A 10 57.227 61.644 11.374 1.00 12.96 C ATOM 57 CG1 VAL A 10 55.823 61.645 11.925 1.00 13.31 C ATOM 58 CG2 VAL A 10 57.239 62.040 9.907 1.00 12.49 C ATOM 59 N LYS A 11 60.256 61.469 12.257 1.00 14.57 N ATOM 60 CA LYS A 11 61.549 61.080 11.681 1.00 16.81 C ATOM 61 C LYS A 11 61.354 60.125 10.521 1.00 15.49 C ATOM 62 O LYS A 11 60.615 59.130 10.611 1.00 13.59 O ATOM 63 CB LYS A 11 62.462 60.406 12.719 1.00 21.39 C ATOM 64 CG LYS A 11 62.800 61.250 13.943 1.00 25.67 C ATOM 65 CD LYS A 11 63.626 62.488 13.596 1.00 28.14 C ATOM 66 CE LYS A 11 64.950 62.067 12.966 1.00 31.77 C ATOM 67 NZ LYS A 11 66.034 62.999 13.355 1.00 36.99 N ATOM 68 N THR A 12 61.985 60.452 9.403 1.00 13.29 N ATOM 69 CA THR A 12 61.905 59.612 8.214 1.00 13.30 C ATOM 70 C THR A 12 62.865 58.451 8.336 1.00 13.10 C ATOM 71 O THR A 12 63.811 58.495 9.149 1.00 10.60 O ATOM 72 CB THR A 12 62.214 60.413 6.963 1.00 13.30 C ATOM 73 OG1 THR A 12 63.579 60.786 6.944 1.00 14.00 O ATOM 74 CG2 THR A 12 61.454 61.622 6.964 1.00 14.16 C ATOM 75 N PRO A 13 62.661 57.417 7.513 1.00 12.65 N ATOM 76 CA PRO A 13 63.581 56.301 7.629 1.00 13.84 C ATOM 77 C PRO A 13 65.057 56.697 7.321 1.00 13.34 C ATOM 78 O PRO A 13 65.969 56.042 7.863 1.00 13.36 O ATOM 79 CB PRO A 13 63.014 55.286 6.637 1.00 13.27 C ATOM 80 CG PRO A 13 61.498 55.536 6.697 1.00 13.40 C ATOM 81 CD PRO A 13 61.419 57.044 6.774 1.00 13.89 C ATOM 82 N ALA A 14 65.255 57.785 6.546 1.00 13.70 N ATOM 83 CA ALA A 14 66.606 58.406 6.361 1.00 14.61 C ATOM 84 C ALA A 14 67.200 59.081 7.596 1.00 15.51 C ATOM 85 O ALA A 14 68.426 59.395 7.655 1.00 15.29 O ATOM 86 CB ALA A 14 66.579 59.400 5.228 1.00 15.93 C ATOM 87 N GLY A 15 66.379 59.383 8.566 1.00 13.64 N ATOM 88 CA GLY A 15 66.846 59.979 9.811 1.00 15.71 C ATOM 89 C GLY A 15 66.711 61.489 9.937 1.00 16.28 C ATOM 90 O GLY A 15 67.240 62.081 10.905 1.00 18.63 O ATOM 91 N LYS A 16 65.993 62.118 9.011 1.00 16.88 N ATOM 92 CA LYS A 16 65.729 63.556 9.086 1.00 15.00 C ATOM 93 C LYS A 16 64.330 63.713 9.698 1.00 17.05 C ATOM 94 O LYS A 16 63.465 62.800 9.594 1.00 19.91 O ATOM 95 CB LYS A 16 65.749 64.201 7.709 1.00 15.79 C ATOM 96 CG LYS A 16 67.027 64.025 6.953 1.00 16.35 C ATOM 97 CD LYS A 16 67.038 64.821 5.682 1.00 18.85 C ATOM 98 CE LYS A 16 68.436 64.857 5.100 1.00 21.87 C ATOM 99 NZ LYS A 16 68.825 63.498 4.635 1.00 21.04 N ATOM 100 N GLU A 17 64.124 64.822 10.386 1.00 15.79 N ATOM 101 CA GLU A 17 62.779 65.173 10.853 1.00 17.45 C ATOM 102 C GLU A 17 62.017 65.891 9.730 1.00 15.27 C ATOM 103 O GLU A 17 62.576 66.783 9.084 1.00 15.26 O ATOM 104 CB GLU A 17 62.895 66.059 12.097 1.00 19.21 C ATOM 105 CG GLU A 17 61.566 66.405 12.738 1.00 22.25 C ATOM 106 CD GLU A 17 61.717 67.142 14.057 1.00 26.88 C ATOM 107 OE1 GLU A 17 62.587 66.774 14.882 1.00 29.27 O ATOM 108 OE2 GLU A 17 60.954 68.091 14.270 1.00 29.99 O ATOM 109 N ALA A 18 60.753 65.512 9.494 1.00 14.91 N ATOM 110 CA ALA A 18 59.909 66.137 8.486 1.00 12.91 C ATOM 111 C ALA A 18 58.482 66.388 9.052 1.00 12.84 C ATOM 112 O ALA A 18 58.029 65.655 9.891 1.00 12.08 O ATOM 113 CB ALA A 18 59.804 65.246 7.272 1.00 13.63 C ATOM 114 N GLU A 19 57.840 67.461 8.624 1.00 12.13 N ATOM 115 CA GLU A 19 56.415 67.675 8.943 1.00 13.08 C ATOM 116 C GLU A 19 55.556 67.123 7.790 1.00 11.03 C ATOM 117 O GLU A 19 55.556 67.665 6.676 1.00 8.85 O ATOM 118 CB GLU A 19 56.126 69.140 9.234 1.00 16.43 C ATOM 119 CG GLU A 19 54.812 69.371 9.910 1.00 22.21 C ATOM 120 CD GLU A 19 54.602 70.840 10.214 1.00 29.85 C ATOM 121 OE1 GLU A 19 55.289 71.655 9.516 1.00 36.61 O ATOM 122 OE2 GLU A 19 53.770 71.166 11.127 1.00 31.49 O ATOM 123 N LEU A 20 54.877 65.992 8.042 1.00 9.88 N ATOM 124 CA LEU A 20 54.252 65.193 6.972 1.00 9.42 C ATOM 125 C LEU A 20 52.826 64.953 7.322 1.00 9.63 C ATOM 126 O LEU A 20 52.441 64.914 8.476 1.00 9.41 O ATOM 127 CB LEU A 20 54.913 63.818 6.708 1.00 9.26 C ATOM 128 CG LEU A 20 56.459 63.819 6.390 1.00 9.27 C ATOM 129 CD1 LEU A 20 56.911 62.374 6.181 1.00 9.37 C ATOM 130 CD2 LEU A 20 56.671 64.684 5.154 1.00 9.02 C ATOM 131 N VAL A 21 52.074 64.695 6.281 1.00 10.16 N ATOM 132 CA VAL A 21 50.611 64.445 6.424 1.00 9.44 C ATOM 133 C VAL A 21 50.403 62.956 6.292 1.00 8.93 C ATOM 134 O VAL A 21 50.611 62.403 5.180 1.00 8.88 O ATOM 135 CB VAL A 21 49.843 65.175 5.304 1.00 9.90 C ATOM 136 CG1 VAL A 21 48.360 64.706 5.246 1.00 10.42 C ATOM 137 CG2 VAL A 21 49.880 66.686 5.504 1.00 11.12 C ATOM 138 N PRO A 22 49.970 62.264 7.398 1.00 8.57 N ATOM 139 CA PRO A 22 49.697 60.845 7.185 1.00 8.65 C ATOM 140 C PRO A 22 48.556 60.549 6.217 1.00 9.54 C ATOM 141 O PRO A 22 47.584 61.275 6.159 1.00 8.81 O ATOM 142 CB PRO A 22 49.370 60.329 8.559 1.00 8.09 C ATOM 143 CG PRO A 22 48.661 61.495 9.202 1.00 7.83 C ATOM 144 CD PRO A 22 49.424 62.731 8.689 1.00 7.99 C ATOM 145 N GLU A 23 48.664 59.431 5.497 1.00 10.87 N ATOM 146 CA GLU A 23 47.609 59.015 4.616 1.00 10.91 C ATOM 147 C GLU A 23 46.432 58.375 5.343 1.00 9.17 C ATOM 148 O GLU A 23 45.284 58.436 4.843 1.00 8.34 O ATOM 149 CB GLU A 23 48.131 58.071 3.493 1.00 12.62 C ATOM 150 CG GLU A 23 49.082 58.803 2.554 1.00 13.99 C ATOM 151 CD GLU A 23 49.471 57.964 1.331 1.00 16.61 C ATOM 152 OE1 GLU A 23 49.003 56.797 1.198 1.00 17.93 O ATOM 153 OE2 GLU A 23 50.266 58.507 0.551 1.00 17.42 O ATOM 154 N LYS A 24 46.722 57.744 6.481 1.00 9.02 N ATOM 155 CA LYS A 24 45.806 56.870 7.230 1.00 7.73 C ATOM 156 C LYS A 24 46.370 56.821 8.654 1.00 7.40 C ATOM 157 O LYS A 24 47.585 56.768 8.826 1.00 7.06 O ATOM 158 CB LYS A 24 45.786 55.454 6.569 1.00 7.70 C ATOM 159 CG LYS A 24 45.106 54.357 7.370 1.00 7.66 C ATOM 160 CD LYS A 24 43.595 54.526 7.297 1.00 8.03 C ATOM 161 CE LYS A 24 42.863 53.475 8.130 1.00 8.35 C ATOM 162 NZ LYS A 24 41.383 53.666 7.981 1.00 8.55 N ATOM 163 N VAL A 25 45.504 56.844 9.655 1.00 6.64 N ATOM 164 CA VAL A 25 45.936 56.816 11.062 1.00 6.82 C ATOM 165 C VAL A 25 44.969 55.861 11.779 1.00 7.17 C ATOM 166 O VAL A 25 43.738 55.714 11.351 1.00 6.78 O ATOM 167 CB VAL A 25 45.951 58.231 11.703 1.00 6.62 C ATOM 168 CG1 VAL A 25 46.859 59.161 10.947 1.00 6.71 C ATOM 169 CG2 VAL A 25 44.555 58.805 11.793 1.00 6.65 C ATOM 170 N TRP A 26 45.454 55.239 12.835 1.00 7.15 N ATOM 171 CA TRP A 26 44.661 54.318 13.604 1.00 8.01 C ATOM 172 C TRP A 26 45.228 54.108 14.983 1.00 8.30 C ATOM 173 O TRP A 26 46.434 54.455 15.232 1.00 9.10 O ATOM 174 CB TRP A 26 44.510 52.976 12.830 1.00 7.83 C ATOM 175 CG TRP A 26 45.713 52.179 12.603 1.00 7.42 C ATOM 176 CD1 TRP A 26 46.136 51.124 13.332 1.00 7.89 C ATOM 177 CD2 TRP A 26 46.705 52.382 11.590 1.00 7.17 C ATOM 178 NE1 TRP A 26 47.308 50.657 12.843 1.00 7.76 N ATOM 179 CE2 TRP A 26 47.651 51.359 11.732 1.00 7.45 C ATOM 180 CE3 TRP A 26 46.829 53.265 10.503 1.00 6.97 C ATOM 181 CZ2 TRP A 26 48.757 51.243 10.896 1.00 7.40 C ATOM 182 CZ3 TRP A 26 47.938 53.126 9.622 1.00 7.43 C ATOM 183 CH2 TRP A 26 48.860 52.109 9.825 1.00 7.24 C ATOM 184 N ALA A 27 44.374 53.546 15.873 1.00 9.41 N ATOM 185 CA ALA A 27 44.781 53.135 17.205 1.00 9.43 C ATOM 186 C ALA A 27 45.282 51.698 17.153 1.00 9.50 C ATOM 187 O ALA A 27 44.544 50.765 16.865 1.00 7.98 O ATOM 188 CB ALA A 27 43.694 53.340 18.293 1.00 9.69 C ATOM 189 N LEU A 28 46.593 51.553 17.439 1.00 10.61 N ATOM 190 CA LEU A 28 47.239 50.251 17.616 1.00 11.41 C ATOM 191 C LEU A 28 47.286 49.892 19.082 1.00 11.86 C ATOM 192 O LEU A 28 48.194 50.263 19.888 1.00 10.62 O ATOM 193 CB LEU A 28 48.612 50.142 16.929 1.00 11.37 C ATOM 194 CG LEU A 28 49.405 48.885 17.253 1.00 11.32 C ATOM 195 CD1 LEU A 28 48.624 47.727 16.667 1.00 11.85 C ATOM 196 CD2 LEU A 28 50.844 49.000 16.693 1.00 10.80 C ATOM 197 N GLY A 29 46.210 49.219 19.477 1.00 13.10 N ATOM 198 CA GLY A 29 45.871 49.300 20.859 1.00 15.10 C ATOM 199 C GLY A 29 45.866 50.729 21.348 1.00 16.61 C ATOM 200 O GLY A 29 45.098 51.570 20.862 1.00 17.69 O ATOM 201 N ARG A 30 46.654 51.000 22.353 1.00 16.25 N ATOM 202 CA ARG A 30 46.637 52.356 22.911 1.00 19.99 C ATOM 203 C ARG A 30 47.438 53.342 22.054 1.00 18.71 C ATOM 204 O ARG A 30 47.176 54.534 22.120 1.00 21.01 O ATOM 205 CB ARG A 30 47.235 52.353 24.276 1.00 21.79 C ATOM 206 CG ARG A 30 46.304 51.737 25.312 1.00 26.36 C ATOM 207 CD ARG A 30 47.080 51.534 26.610 1.00 30.32 C ATOM 208 NE ARG A 30 48.033 50.422 26.476 1.00 34.67 N ATOM 209 CZ ARG A 30 47.693 49.119 26.426 1.00 38.26 C ATOM 210 NH1 ARG A 30 46.400 48.735 26.488 1.00 39.53 N ATOM 211 NH2 ARG A 30 48.651 48.181 26.293 1.00 30.78 N ATOM 212 N VAL A 31 48.416 52.816 21.293 1.00 13.61 N ATOM 213 CA VAL A 31 49.398 53.648 20.575 1.00 11.36 C ATOM 214 C VAL A 31 48.845 54.072 19.246 1.00 9.38 C ATOM 215 O VAL A 31 48.384 53.254 18.491 1.00 7.62 O ATOM 216 CB VAL A 31 50.721 52.887 20.364 1.00 11.84 C ATOM 217 CG1 VAL A 31 51.737 53.778 19.673 1.00 11.13 C ATOM 218 CG2 VAL A 31 51.232 52.407 21.712 1.00 12.49 C ATOM 219 N LYS A 32 48.882 55.389 18.965 1.00 8.80 N ATOM 220 CA LYS A 32 48.379 55.910 17.694 1.00 8.88 C ATOM 221 C LYS A 32 49.513 55.837 16.655 1.00 8.02 C ATOM 222 O LYS A 32 50.630 56.331 16.878 1.00 8.05 O ATOM 223 CB LYS A 32 47.925 57.349 17.867 1.00 8.88 C ATOM 224 CG LYS A 32 46.771 57.515 18.870 1.00 10.01 C ATOM 225 CD LYS A 32 46.228 58.925 18.937 1.00 10.03 C ATOM 226 CE LYS A 32 44.928 58.894 19.682 1.00 11.43 C ATOM 227 NZ LYS A 32 44.325 60.212 19.950 1.00 11.93 N ATOM 228 N ILE A 33 49.173 55.287 15.489 1.00 8.34 N ATOM 229 CA ILE A 33 50.108 55.019 14.392 1.00 7.84 C ATOM 230 C ILE A 33 49.581 55.666 13.134 1.00 7.61 C ATOM 231 O ILE A 33 48.360 55.644 12.847 1.00 7.39 O ATOM 232 CB ILE A 33 50.304 53.498 14.155 1.00 8.53 C ATOM 233 CG1 ILE A 33 50.887 52.836 15.409 1.00 8.44 C ATOM 234 CG2 ILE A 33 51.116 53.236 12.886 1.00 8.11 C ATOM 235 CD1 ILE A 33 52.320 53.230 15.639 1.00 8.69 C ATOM 236 N GLY A 34 50.506 56.273 12.392 1.00 7.02 N ATOM 237 CA GLY A 34 50.200 56.814 11.051 1.00 6.51 C ATOM 238 C GLY A 34 50.995 56.173 9.942 1.00 6.34 C ATOM 239 O GLY A 34 52.085 55.677 10.174 1.00 6.15 O ATOM 240 N LEU A 35 50.392 56.093 8.775 1.00 6.38 N ATOM 241 CA LEU A 35 51.080 55.628 7.564 1.00 7.43 C ATOM 242 C LEU A 35 51.461 56.872 6.739 1.00 7.67 C ATOM 243 O LEU A 35 50.600 57.685 6.414 1.00 7.61 O ATOM 244 CB LEU A 35 50.162 54.692 6.766 1.00 7.57 C ATOM 245 CG LEU A 35 50.747 54.277 5.394 1.00 8.01 C ATOM 246 CD1 LEU A 35 52.022 53.425 5.532 1.00 8.08 C ATOM 247 CD2 LEU A 35 49.705 53.494 4.651 1.00 9.07 C ATOM 248 N PHE A 36 52.749 57.016 6.503 1.00 7.92 N ATOM 249 CA PHE A 36 53.349 58.162 5.858 1.00 8.96 C ATOM 250 C PHE A 36 54.132 57.721 4.628 1.00 9.74 C ATOM 251 O PHE A 36 54.548 56.568 4.511 1.00 11.45 O ATOM 252 CB PHE A 36 54.357 58.867 6.757 1.00 8.62 C ATOM 253 CG PHE A 36 53.774 59.429 8.014 1.00 8.67 C ATOM 254 CD1 PHE A 36 53.643 58.625 9.140 1.00 9.11 C ATOM 255 CD2 PHE A 36 53.395 60.748 8.087 1.00 9.12 C ATOM 256 CE1 PHE A 36 53.153 59.116 10.314 1.00 8.99 C ATOM 257 CE2 PHE A 36 52.868 61.254 9.275 1.00 9.13 C ATOM 258 CZ PHE A 36 52.750 60.426 10.375 1.00 8.82 C ATOM 259 N LYS A 37 54.254 58.656 3.692 1.00 11.32 N ATOM 260 CA LYS A 37 55.112 58.522 2.543 1.00 11.49 C ATOM 261 C LYS A 37 56.218 59.603 2.600 1.00 11.56 C ATOM 262 O LYS A 37 55.930 60.811 2.694 1.00 9.86 O ATOM 263 CB LYS A 37 54.258 58.618 1.273 1.00 13.98 C ATOM 264 CG LYS A 37 55.094 58.489 -0.006 1.00 17.71 C ATOM 265 CD LYS A 37 54.288 58.153 -1.250 1.00 20.52 C ATOM 266 CE LYS A 37 53.843 59.420 -1.945 1.00 25.75 C ATOM 267 NZ LYS A 37 53.024 59.097 -3.162 1.00 31.60 N ATOM 268 N ASP A 38 57.478 59.187 2.544 1.00 10.26 N ATOM 269 CA ASP A 38 58.597 60.140 2.517 1.00 11.74 C ATOM 270 C ASP A 38 58.535 60.769 1.122 1.00 11.11 C ATOM 271 O ASP A 38 58.672 60.058 0.120 1.00 10.50 O ATOM 272 CB ASP A 38 59.903 59.396 2.734 1.00 13.64 C ATOM 273 CG ASP A 38 61.148 60.304 2.693 1.00 16.94 C ATOM 274 OD1 ASP A 38 61.396 60.943 1.662 1.00 21.72 O ATOM 275 OD2 ASP A 38 61.940 60.317 3.674 1.00 19.05 O ATOM 276 N PRO A 39 58.336 62.110 1.056 1.00 11.30 N ATOM 277 CA PRO A 39 58.174 62.767 -0.222 1.00 11.55 C ATOM 278 C PRO A 39 59.404 62.636 -1.104 1.00 12.70 C ATOM 279 O PRO A 39 59.259 62.433 -2.301 1.00 14.25 O ATOM 280 CB PRO A 39 57.884 64.235 0.146 1.00 12.81 C ATOM 281 CG PRO A 39 57.473 64.191 1.607 1.00 11.91 C ATOM 282 CD PRO A 39 58.307 63.087 2.166 1.00 11.90 C ATOM 283 N GLU A 40 60.574 62.698 -0.514 1.00 14.11 N ATOM 284 CA GLU A 40 61.835 62.642 -1.297 1.00 15.50 C ATOM 285 C GLU A 40 62.031 61.272 -1.955 1.00 13.49 C ATOM 286 O GLU A 40 62.372 61.174 -3.123 1.00 13.40 O ATOM 287 CB GLU A 40 63.039 62.984 -0.414 1.00 18.28 C ATOM 288 CG GLU A 40 64.346 63.119 -1.212 1.00 23.46 C ATOM 289 CD GLU A 40 65.632 63.104 -0.371 1.00 28.24 C ATOM 290 OE1 GLU A 40 65.527 63.344 0.875 1.00 32.99 O ATOM 291 OE2 GLU A 40 66.761 62.878 -0.965 1.00 30.87 O ATOM 292 N THR A 41 61.822 60.208 -1.180 1.00 13.75 N ATOM 293 CA THR A 41 62.154 58.835 -1.597 1.00 12.22 C ATOM 294 C THR A 41 60.978 58.102 -2.168 1.00 11.80 C ATOM 295 O THR A 41 61.131 57.081 -2.842 1.00 11.15 O ATOM 296 CB THR A 41 62.693 57.998 -0.406 1.00 12.17 C ATOM 297 OG1 THR A 41 61.674 57.744 0.574 1.00 11.30 O ATOM 298 CG2 THR A 41 63.803 58.640 0.244 1.00 13.04 C ATOM 299 N GLY A 42 59.779 58.555 -1.836 1.00 10.90 N ATOM 300 CA GLY A 42 58.568 57.879 -2.253 1.00 11.13 C ATOM 301 C GLY A 42 58.151 56.667 -1.444 1.00 12.45 C ATOM 302 O GLY A 42 57.108 56.021 -1.766 1.00 13.35 O ATOM 303 N LYS A 43 58.906 56.352 -0.404 1.00 12.34 N ATOM 304 CA LYS A 43 58.709 55.091 0.309 1.00 13.85 C ATOM 305 C LYS A 43 57.822 55.304 1.515 1.00 11.44 C ATOM 306 O LYS A 43 57.851 56.352 2.114 1.00 10.35 O ATOM 307 CB LYS A 43 60.018 54.487 0.682 1.00 15.47 C ATOM 308 CG LYS A 43 60.832 54.140 -0.556 1.00 17.19 C ATOM 309 CD LYS A 43 62.239 53.669 -0.200 1.00 20.85 C ATOM 310 CE LYS A 43 62.799 52.588 -1.168 1.00 22.05 C ATOM 311 NZ LYS A 43 64.294 52.305 -1.028 1.00 20.34 N ATOM 312 N TYR A 44 56.954 54.317 1.732 1.00 10.26 N ATOM 313 CA TYR A 44 56.035 54.282 2.885 1.00 10.58 C ATOM 314 C TYR A 44 56.703 53.821 4.165 1.00 9.28 C ATOM 315 O TYR A 44 57.610 52.962 4.177 1.00 8.14 O ATOM 316 CB TYR A 44 54.858 53.391 2.535 1.00 11.51 C ATOM 317 CG TYR A 44 53.938 54.008 1.552 1.00 12.54 C ATOM 318 CD1 TYR A 44 52.893 54.771 2.012 1.00 15.26 C ATOM 319 CD2 TYR A 44 54.111 53.865 0.168 1.00 15.09 C ATOM 320 CE1 TYR A 44 52.004 55.351 1.138 1.00 18.09 C ATOM 321 CE2 TYR A 44 53.216 54.471 -0.750 1.00 15.94 C ATOM 322 CZ TYR A 44 52.173 55.217 -0.229 1.00 17.58 C ATOM 323 OH TYR A 44 51.213 55.900 -0.980 1.00 22.46 O ATOM 324 N PHE A 45 56.247 54.398 5.264 1.00 8.44 N ATOM 325 CA PHE A 45 56.667 54.031 6.586 1.00 8.36 C ATOM 326 C PHE A 45 55.606 54.347 7.570 1.00 7.42 C ATOM 327 O PHE A 45 54.799 55.257 7.374 1.00 7.72 O ATOM 328 CB PHE A 45 57.960 54.696 7.048 1.00 8.81 C ATOM 329 CG PHE A 45 57.909 56.198 7.175 1.00 8.87 C ATOM 330 CD1 PHE A 45 57.974 56.997 6.056 1.00 8.84 C ATOM 331 CD2 PHE A 45 57.918 56.793 8.402 1.00 8.48 C ATOM 332 CE1 PHE A 45 58.034 58.364 6.176 1.00 9.78 C ATOM 333 CE2 PHE A 45 57.943 58.194 8.532 1.00 8.70 C ATOM 334 CZ PHE A 45 57.973 58.985 7.406 1.00 9.03 C ATOM 335 N ARG A 46 55.646 53.626 8.664 1.00 7.38 N ATOM 336 CA ARG A 46 54.731 53.910 9.807 1.00 7.40 C ATOM 337 C ARG A 46 55.511 54.590 10.912 1.00 7.52 C ATOM 338 O ARG A 46 56.755 54.521 10.972 1.00 6.28 O ATOM 339 CB ARG A 46 54.030 52.659 10.313 1.00 7.89 C ATOM 340 CG ARG A 46 53.066 52.088 9.331 1.00 8.51 C ATOM 341 CD ARG A 46 52.756 50.601 9.649 1.00 8.57 C ATOM 342 NE ARG A 46 51.696 50.151 8.776 1.00 8.61 N ATOM 343 CZ ARG A 46 51.777 49.923 7.449 1.00 8.79 C ATOM 344 NH1 ARG A 46 50.673 49.567 6.799 1.00 9.95 N ATOM 345 NH2 ARG A 46 52.929 49.970 6.776 1.00 9.24 N ATOM 346 N HIS A 47 54.780 55.361 11.719 1.00 7.73 N ATOM 347 CA HIS A 47 55.400 56.149 12.781 1.00 8.07 C ATOM 348 C HIS A 47 54.319 56.471 13.827 1.00 8.25 C ATOM 349 O HIS A 47 53.150 56.693 13.489 1.00 7.58 O ATOM 350 CB HIS A 47 55.977 57.431 12.164 1.00 8.49 C ATOM 351 CG HIS A 47 56.957 58.153 13.036 1.00 9.56 C ATOM 352 ND1 HIS A 47 56.574 58.836 14.164 1.00 9.95 N ATOM 353 CD2 HIS A 47 58.281 58.366 12.905 1.00 11.01 C ATOM 354 CE1 HIS A 47 57.622 59.413 14.720 1.00 10.99 C ATOM 355 NE2 HIS A 47 58.668 59.170 13.958 1.00 11.54 N ATOM 356 N LYS A 48 54.743 56.464 15.092 1.00 8.53 N ATOM 357 CA LYS A 48 53.924 56.849 16.230 1.00 9.31 C ATOM 358 C LYS A 48 53.422 58.290 16.059 1.00 8.70 C ATOM 359 O LYS A 48 54.137 59.173 15.526 1.00 7.86 O ATOM 360 CB LYS A 48 54.716 56.779 17.541 1.00 10.57 C ATOM 361 CG LYS A 48 53.846 57.110 18.739 1.00 12.24 C ATOM 362 CD LYS A 48 54.614 56.987 20.032 1.00 14.98 C ATOM 363 CE LYS A 48 53.970 57.619 21.246 1.00 18.01 C ATOM 364 NZ LYS A 48 52.726 56.932 21.495 1.00 22.37 N ATOM 365 N LEU A 49 52.187 58.481 16.464 1.00 8.26 N ATOM 366 CA LEU A 49 51.565 59.807 16.509 1.00 8.47 C ATOM 367 C LEU A 49 51.435 60.298 17.923 1.00 9.05 C ATOM 368 O LEU A 49 51.415 59.514 18.876 1.00 7.79 O ATOM 369 CB LEU A 49 50.171 59.830 15.887 1.00 8.44 C ATOM 370 CG LEU A 49 50.029 59.093 14.547 1.00 8.03 C ATOM 371 CD1 LEU A 49 48.588 58.991 14.086 1.00 7.87 C ATOM 372 CD2 LEU A 49 50.880 59.844 13.574 1.00 8.19 C ATOM 373 N PRO A 50 51.255 61.618 18.071 1.00 9.75 N ATOM 374 CA PRO A 50 51.027 62.151 19.419 1.00 10.48 C ATOM 375 C PRO A 50 49.821 61.532 20.055 1.00 10.42 C ATOM 376 O PRO A 50 48.894 61.196 19.396 1.00 10.92 O ATOM 377 CB PRO A 50 50.771 63.648 19.144 1.00 10.39 C ATOM 378 CG PRO A 50 51.642 63.917 17.983 1.00 10.11 C ATOM 379 CD PRO A 50 51.402 62.714 17.108 1.00 9.63 C ATOM 380 N ASP A 51 49.837 61.408 21.377 1.00 10.44 N ATOM 381 CA ASP A 51 48.749 60.725 22.035 1.00 11.40 C ATOM 382 C ASP A 51 47.428 61.430 21.902 1.00 10.62 C ATOM 383 O ASP A 51 46.407 60.759 22.017 1.00 9.94 O ATOM 384 CB ASP A 51 49.013 60.518 23.491 1.00 12.96 C ATOM 385 CG ASP A 51 50.176 59.532 23.747 1.00 15.03 C ATOM 386 OD1 ASP A 51 50.399 58.640 22.912 1.00 16.35 O ATOM 387 OD2 ASP A 51 50.826 59.662 24.817 1.00 17.27 O ATOM 388 N ASP A 52 47.457 62.730 21.670 1.00 11.39 N ATOM 389 CA ASP A 52 46.205 63.541 21.500 1.00 11.98 C ATOM 390 C ASP A 52 45.764 63.640 20.044 1.00 11.41 C ATOM 391 O ASP A 52 44.816 64.374 19.710 1.00 11.99 O ATOM 392 CB ASP A 52 46.424 64.936 22.050 1.00 13.24 C ATOM 393 CG ASP A 52 47.554 65.664 21.331 1.00 15.07 C ATOM 394 OD1 ASP A 52 48.702 65.242 21.380 1.00 15.77 O ATOM 395 OD2 ASP A 52 47.320 66.646 20.645 1.00 17.76 O ATOM 396 N TYR A 53 46.463 62.957 19.146 1.00 11.35 N ATOM 397 CA TYR A 53 46.280 63.187 17.682 1.00 10.30 C ATOM 398 C TYR A 53 44.890 62.644 17.253 1.00 9.98 C ATOM 399 O TYR A 53 44.396 61.610 17.770 1.00 10.24 O ATOM 400 CB TYR A 53 47.430 62.499 16.877 1.00 10.52 C ATOM 401 CG TYR A 53 47.375 62.776 15.397 1.00 8.94 C ATOM 402 CD1 TYR A 53 46.567 62.050 14.563 1.00 9.45 C ATOM 403 CD2 TYR A 53 48.075 63.811 14.854 1.00 9.00 C ATOM 404 CE1 TYR A 53 46.520 62.310 13.190 1.00 8.51 C ATOM 405 CE2 TYR A 53 48.019 64.092 13.464 1.00 8.26 C ATOM 406 CZ TYR A 53 47.244 63.339 12.665 1.00 8.43 C ATOM 407 OH TYR A 53 47.167 63.636 11.314 1.00 7.32 O ATOM 408 N PRO A 54 44.220 63.347 16.289 1.00 10.70 N ATOM 409 CA PRO A 54 42.860 62.932 15.970 1.00 11.04 C ATOM 410 C PRO A 54 42.828 61.668 15.142 1.00 11.89 C ATOM 411 O PRO A 54 43.489 61.613 14.105 1.00 11.98 O ATOM 412 CB PRO A 54 42.294 64.153 15.168 1.00 11.14 C ATOM 413 CG PRO A 54 43.498 64.830 14.598 1.00 10.73 C ATOM 414 CD PRO A 54 44.554 64.640 15.663 1.00 10.86 C ATOM 415 N ILE A 55 42.070 60.677 15.586 1.00 12.90 N ATOM 416 CA ILE A 55 41.977 59.399 14.859 1.00 16.09 C ATOM 417 C ILE A 55 40.653 59.280 14.072 1.00 16.46 C ATOM 418 O ILE A 55 39.565 59.575 14.560 1.00 15.40 O ATOM 419 CB ILE A 55 42.160 58.202 15.793 1.00 16.84 C ATOM 420 CG1 ILE A 55 43.520 58.234 16.448 1.00 17.07 C ATOM 421 CG2 ILE A 55 41.989 56.898 15.003 1.00 17.98 C ATOM 422 CD1 ILE A 55 44.673 57.935 15.544 1.00 16.98 C ATOM 423 OXT ILE A 55 40.643 58.988 12.885 1.00 18.58 O TER 424 ILE A 55 ATOM 425 O5' DG B 101 54.801 35.761 21.511 1.00 21.86 O ATOM 426 C5' DG B 101 53.759 35.213 22.309 1.00 18.80 C ATOM 427 C4' DG B 101 52.531 36.092 22.226 1.00 17.39 C ATOM 428 O4' DG B 101 52.711 37.328 22.964 1.00 14.30 O ATOM 429 C3' DG B 101 52.034 36.498 20.838 1.00 17.29 C ATOM 430 O3' DG B 101 50.629 36.340 20.977 1.00 19.86 O ATOM 431 C2' DG B 101 52.542 37.920 20.673 1.00 15.11 C ATOM 432 C1' DG B 101 52.594 38.457 22.098 1.00 12.86 C ATOM 433 N9 DG B 101 53.711 39.357 22.364 1.00 11.27 N ATOM 434 C8 DG B 101 55.003 39.263 21.912 1.00 11.62 C ATOM 435 N7 DG B 101 55.766 40.230 22.347 1.00 11.16 N ATOM 436 C5 DG B 101 54.916 41.032 23.091 1.00 10.27 C ATOM 437 C6 DG B 101 55.185 42.215 23.829 1.00 10.27 C ATOM 438 O6 DG B 101 56.249 42.838 23.913 1.00 11.29 O ATOM 439 N1 DG B 101 54.044 42.702 24.450 1.00 9.74 N ATOM 440 C2 DG B 101 52.811 42.097 24.414 1.00 9.68 C ATOM 441 N2 DG B 101 51.839 42.702 25.093 1.00 9.32 N ATOM 442 N3 DG B 101 52.554 40.979 23.752 1.00 9.70 N ATOM 443 C4 DG B 101 53.650 40.502 23.125 1.00 10.81 C ATOM 444 P DT B 102 49.529 36.888 19.886 1.00 22.16 P ATOM 445 OP1 DT B 102 48.320 35.998 20.006 1.00 22.84 O ATOM 446 OP2 DT B 102 50.192 37.142 18.589 1.00 19.93 O ATOM 447 O5' DT B 102 49.073 38.282 20.517 1.00 18.90 O ATOM 448 C5' DT B 102 48.358 38.371 21.768 1.00 14.80 C ATOM 449 C4' DT B 102 48.041 39.825 22.015 1.00 14.13 C ATOM 450 O4' DT B 102 49.280 40.552 22.118 1.00 13.40 O ATOM 451 C3' DT B 102 47.286 40.475 20.854 1.00 13.25 C ATOM 452 O3' DT B 102 45.935 40.623 21.284 1.00 14.41 O ATOM 453 C2' DT B 102 48.044 41.765 20.550 1.00 13.96 C ATOM 454 C1' DT B 102 49.066 41.884 21.660 1.00 13.40 C ATOM 455 N1 DT B 102 50.378 42.402 21.297 1.00 11.59 N ATOM 456 C2 DT B 102 50.872 43.528 21.929 1.00 11.96 C ATOM 457 O2 DT B 102 50.205 44.236 22.671 1.00 11.60 O ATOM 458 N3 DT B 102 52.172 43.834 21.605 1.00 10.68 N ATOM 459 C4 DT B 102 53.012 43.127 20.755 1.00 11.05 C ATOM 460 O4 DT B 102 54.156 43.519 20.563 1.00 11.50 O ATOM 461 C5 DT B 102 52.433 41.963 20.141 1.00 11.01 C ATOM 462 C7 DT B 102 53.260 41.155 19.192 1.00 11.19 C ATOM 463 C6 DT B 102 51.167 41.651 20.450 1.00 11.64 C ATOM 464 P DG B 103 44.759 40.507 20.188 1.00 11.41 P ATOM 465 OP1 DG B 103 43.483 40.226 20.883 1.00 11.51 O ATOM 466 OP2 DG B 103 45.224 39.740 19.024 1.00 10.83 O ATOM 467 O5' DG B 103 44.671 41.992 19.602 1.00 10.24 O ATOM 468 C5' DG B 103 43.972 43.043 20.282 1.00 9.73 C ATOM 469 C4' DG B 103 44.459 44.392 19.816 1.00 9.30 C ATOM 470 O4' DG B 103 45.810 44.678 20.269 1.00 8.68 O ATOM 471 C3' DG B 103 44.533 44.533 18.302 1.00 8.48 C ATOM 472 O3' DG B 103 43.196 44.738 17.826 1.00 8.15 O ATOM 473 C2' DG B 103 45.466 45.719 18.146 1.00 8.45 C ATOM 474 C1' DG B 103 46.415 45.588 19.331 1.00 8.31 C ATOM 475 N9 DG B 103 47.736 45.092 18.966 1.00 8.39 N ATOM 476 C8 DG B 103 48.041 44.109 18.063 1.00 8.21 C ATOM 477 N7 DG B 103 49.327 43.944 17.906 1.00 8.78 N ATOM 478 C5 DG B 103 49.898 44.955 18.673 1.00 9.64 C ATOM 479 C6 DG B 103 51.264 45.318 18.856 1.00 9.25 C ATOM 480 O6 DG B 103 52.271 44.778 18.394 1.00 10.56 O ATOM 481 N1 DG B 103 51.389 46.450 19.656 1.00 9.11 N ATOM 482 C2 DG B 103 50.345 47.138 20.213 1.00 9.30 C ATOM 483 N2 DG B 103 50.674 48.181 20.998 1.00 9.64 N ATOM 484 N3 DG B 103 49.080 46.763 20.115 1.00 8.69 N ATOM 485 C4 DG B 103 48.933 45.670 19.332 1.00 8.54 C ATOM 486 P DA B 104 42.869 44.605 16.283 1.00 7.79 P ATOM 487 OP1 DA B 104 41.396 44.684 16.159 1.00 7.41 O ATOM 488 OP2 DA B 104 43.607 43.441 15.755 1.00 7.65 O ATOM 489 O5' DA B 104 43.563 45.875 15.610 1.00 8.38 O ATOM 490 C5' DA B 104 43.193 47.227 15.882 1.00 9.04 C ATOM 491 C4' DA B 104 43.512 48.089 14.677 1.00 9.38 C ATOM 492 O4' DA B 104 44.951 48.085 14.462 1.00 9.39 O ATOM 493 C3' DA B 104 42.872 47.660 13.354 1.00 9.22 C ATOM 494 O3' DA B 104 42.498 48.825 12.609 1.00 9.67 O ATOM 495 C2' DA B 104 43.967 46.867 12.671 1.00 9.00 C ATOM 496 C1' DA B 104 45.269 47.474 13.211 1.00 8.81 C ATOM 497 N9 DA B 104 46.332 46.533 13.478 1.00 8.60 N ATOM 498 C8 DA B 104 46.230 45.287 14.055 1.00 8.32 C ATOM 499 N7 DA B 104 47.384 44.705 14.253 1.00 8.29 N ATOM 500 C5 DA B 104 48.315 45.654 13.839 1.00 7.69 C ATOM 501 C6 DA B 104 49.734 45.660 13.827 1.00 7.53 C ATOM 502 N6 DA B 104 50.487 44.648 14.272 1.00 6.47 N ATOM 503 N1 DA B 104 50.355 46.753 13.325 1.00 6.93 N ATOM 504 C2 DA B 104 49.599 47.768 12.873 1.00 7.50 C ATOM 505 N3 DA B 104 48.266 47.897 12.878 1.00 8.34 N ATOM 506 C4 DA B 104 47.682 46.787 13.372 1.00 8.17 C ATOM 507 P DT B 105 41.817 48.725 11.195 1.00 9.81 P ATOM 508 OP1 DT B 105 40.885 49.907 11.149 1.00 10.54 O ATOM 509 OP2 DT B 105 41.339 47.359 10.951 1.00 9.44 O ATOM 510 O5' DT B 105 43.067 48.923 10.242 1.00 9.09 O ATOM 511 C5' DT B 105 43.779 50.168 10.287 1.00 8.65 C ATOM 512 C4' DT B 105 45.043 50.052 9.472 1.00 8.19 C ATOM 513 O4' DT B 105 45.909 49.070 10.060 1.00 7.77 O ATOM 514 C3' DT B 105 44.806 49.545 8.055 1.00 8.26 C ATOM 515 O3' DT B 105 44.711 50.645 7.166 1.00 8.71 O ATOM 516 C2' DT B 105 45.986 48.614 7.780 1.00 8.19 C ATOM 517 C1' DT B 105 46.800 48.672 9.047 1.00 8.19 C ATOM 518 N1 DT B 105 47.396 47.422 9.467 1.00 8.17 N ATOM 519 C2 DT B 105 48.764 47.342 9.526 1.00 8.94 C ATOM 520 O2 DT B 105 49.503 48.280 9.252 1.00 8.22 O ATOM 521 N3 DT B 105 49.242 46.146 10.003 1.00 8.75 N ATOM 522 C4 DT B 105 48.506 45.044 10.382 1.00 8.97 C ATOM 523 O4 DT B 105 49.081 44.046 10.796 1.00 9.66 O ATOM 524 C5 DT B 105 47.069 45.192 10.271 1.00 9.00 C ATOM 525 C7 DT B 105 46.181 44.047 10.653 1.00 9.26 C ATOM 526 C6 DT B 105 46.596 46.346 9.793 1.00 9.07 C ATOM 527 P DC B 106 44.116 50.507 5.673 1.00 9.36 P ATOM 528 OP1 DC B 106 43.680 51.826 5.260 1.00 8.60 O ATOM 529 OP2 DC B 106 43.235 49.305 5.629 1.00 9.63 O ATOM 530 O5' DC B 106 45.399 50.151 4.790 1.00 9.33 O ATOM 531 C5' DC B 106 46.559 50.981 4.772 1.00 8.54 C ATOM 532 C4' DC B 106 47.678 50.279 4.034 1.00 8.69 C ATOM 533 O4' DC B 106 48.174 49.179 4.836 1.00 8.24 O ATOM 534 C3' DC B 106 47.270 49.674 2.689 1.00 9.02 C ATOM 535 O3' DC B 106 48.330 49.788 1.735 1.00 10.61 O ATOM 536 C2' DC B 106 47.141 48.199 3.001 1.00 8.78 C ATOM 537 C1' DC B 106 48.234 48.011 4.025 1.00 8.35 C ATOM 538 N1 DC B 106 48.194 46.827 4.910 1.00 8.36 N ATOM 539 C2 DC B 106 49.415 46.340 5.435 1.00 8.88 C ATOM 540 O2 DC B 106 50.471 46.935 5.167 1.00 9.40 O ATOM 541 N3 DC B 106 49.399 45.266 6.250 1.00 8.90 N ATOM 542 C4 DC B 106 48.239 44.670 6.548 1.00 8.44 C ATOM 543 N4 DC B 106 48.277 43.620 7.354 1.00 8.73 N ATOM 544 C5 DC B 106 46.990 45.132 6.026 1.00 9.30 C ATOM 545 C6 DC B 106 47.017 46.195 5.205 1.00 8.81 C ATOM 546 P DA B 107 48.311 50.846 0.593 1.00 10.70 P ATOM 547 OP1 DA B 107 47.944 52.143 1.179 1.00 13.32 O ATOM 548 OP2 DA B 107 47.481 50.283 -0.525 1.00 9.63 O ATOM 549 O5' DA B 107 49.836 50.909 0.164 1.00 10.31 O ATOM 550 C5' DA B 107 50.838 51.463 1.029 1.00 10.10 C ATOM 551 C4' DA B 107 52.144 50.725 0.888 1.00 10.00 C ATOM 552 O4' DA B 107 52.077 49.450 1.569 1.00 10.16 O ATOM 553 C3' DA B 107 52.587 50.419 -0.550 1.00 10.24 C ATOM 554 O3' DA B 107 54.003 50.618 -0.592 1.00 11.35 O ATOM 555 C2' DA B 107 52.163 48.984 -0.760 1.00 10.25 C ATOM 556 C1' DA B 107 52.236 48.372 0.632 1.00 9.91 C ATOM 557 N9 DA B 107 51.180 47.406 0.921 1.00 9.55 N ATOM 558 C8 DA B 107 49.879 47.408 0.471 1.00 9.72 C ATOM 559 N7 DA B 107 49.161 46.410 0.923 1.00 9.34 N ATOM 560 C5 DA B 107 50.038 45.711 1.741 1.00 9.53 C ATOM 561 C6 DA B 107 49.866 44.580 2.567 1.00 9.64 C ATOM 562 N6 DA B 107 48.706 43.908 2.677 1.00 9.72 N ATOM 563 N1 DA B 107 50.949 44.118 3.233 1.00 10.20 N ATOM 564 C2 DA B 107 52.105 44.802 3.131 1.00 9.54 C ATOM 565 N3 DA B 107 52.365 45.925 2.453 1.00 9.38 N ATOM 566 C4 DA B 107 51.284 46.324 1.760 1.00 9.57 C ATOM 567 P DC B 108 54.824 50.437 -1.954 1.00 12.16 P ATOM 568 OP1 DC B 108 56.117 51.250 -1.810 1.00 12.90 O ATOM 569 OP2 DC B 108 53.953 50.562 -3.105 1.00 11.78 O ATOM 570 O5' DC B 108 55.313 48.917 -1.873 1.00 13.05 O ATOM 571 C5' DC B 108 56.195 48.511 -0.797 1.00 13.10 C ATOM 572 C4' DC B 108 56.240 47.005 -0.702 1.00 13.92 C ATOM 573 O4' DC B 108 55.004 46.482 -0.199 1.00 12.81 O ATOM 574 C3' DC B 108 56.461 46.262 -2.011 1.00 13.84 C ATOM 575 O3' DC B 108 57.863 46.288 -2.304 1.00 14.29 O ATOM 576 C2' DC B 108 55.884 44.886 -1.719 1.00 13.60 C ATOM 577 C1' DC B 108 54.990 45.103 -0.480 1.00 13.50 C ATOM 578 N1 DC B 108 53.580 44.682 -0.625 1.00 10.76 N ATOM 579 C2 DC B 108 53.150 43.575 0.112 1.00 10.31 C ATOM 580 O2 DC B 108 53.967 42.986 0.835 1.00 9.67 O ATOM 581 N3 DC B 108 51.869 43.159 -0.006 1.00 9.29 N ATOM 582 C4 DC B 108 51.029 43.811 -0.816 1.00 10.16 C ATOM 583 N4 DC B 108 49.766 43.397 -0.868 1.00 9.86 N ATOM 584 C5 DC B 108 51.440 44.942 -1.574 1.00 10.22 C ATOM 585 C6 DC B 108 52.710 45.347 -1.441 1.00 10.86 C TER 586 DC B 108 ATOM 587 O5' DG C 109 49.410 33.250 1.749 1.00 24.98 O ATOM 588 C5' DG C 109 49.226 33.610 3.122 1.00 19.52 C ATOM 589 C4' DG C 109 50.565 34.008 3.699 1.00 17.35 C ATOM 590 O4' DG C 109 50.994 35.218 3.040 1.00 15.78 O ATOM 591 C3' DG C 109 50.503 34.374 5.169 1.00 16.51 C ATOM 592 O3' DG C 109 51.809 34.224 5.748 1.00 16.16 O ATOM 593 C2' DG C 109 49.996 35.806 5.103 1.00 16.17 C ATOM 594 C1' DG C 109 50.748 36.337 3.891 1.00 14.30 C ATOM 595 N9 DG C 109 50.047 37.340 3.113 1.00 12.49 N ATOM 596 C8 DG C 109 48.720 37.341 2.761 1.00 11.91 C ATOM 597 N7 DG C 109 48.384 38.371 2.038 1.00 10.80 N ATOM 598 C5 DG C 109 49.553 39.112 1.930 1.00 10.76 C ATOM 599 C6 DG C 109 49.802 40.336 1.264 1.00 10.32 C ATOM 600 O6 DG C 109 49.014 41.025 0.579 1.00 10.02 O ATOM 601 N1 DG C 109 51.130 40.731 1.402 1.00 9.79 N ATOM 602 C2 DG C 109 52.107 39.999 2.034 1.00 10.29 C ATOM 603 N2 DG C 109 53.339 40.520 2.027 1.00 10.46 N ATOM 604 N3 DG C 109 51.870 38.888 2.716 1.00 12.30 N ATOM 605 C4 DG C 109 50.591 38.480 2.577 1.00 11.51 C ATOM 606 P DT C 110 52.093 34.668 7.289 1.00 18.95 P ATOM 607 OP1 DT C 110 53.170 33.796 7.783 1.00 16.55 O ATOM 608 OP2 DT C 110 50.833 34.724 8.028 1.00 18.64 O ATOM 609 O5' DT C 110 52.720 36.123 7.111 1.00 18.41 O ATOM 610 C5' DT C 110 53.992 36.302 6.466 1.00 17.11 C ATOM 611 C4' DT C 110 54.455 37.734 6.621 1.00 17.35 C ATOM 612 O4' DT C 110 53.612 38.619 5.850 1.00 15.65 O ATOM 613 C3' DT C 110 54.387 38.269 8.052 1.00 16.19 C ATOM 614 O3' DT C 110 55.440 39.216 8.198 1.00 19.41 O ATOM 615 C2' DT C 110 53.098 39.076 8.061 1.00 14.78 C ATOM 616 C1' DT C 110 53.176 39.685 6.686 1.00 14.88 C ATOM 617 N1 DT C 110 51.922 40.233 6.108 1.00 13.84 N ATOM 618 C2 DT C 110 52.001 41.380 5.340 1.00 12.70 C ATOM 619 O2 DT C 110 53.027 42.009 5.182 1.00 13.57 O ATOM 620 N3 DT C 110 50.807 41.793 4.809 1.00 12.48 N ATOM 621 C4 DT C 110 49.586 41.174 4.926 1.00 12.68 C ATOM 622 O4 DT C 110 48.591 41.687 4.423 1.00 11.87 O ATOM 623 C5 DT C 110 49.565 40.006 5.775 1.00 12.91 C ATOM 624 C7 DT C 110 48.272 39.283 5.966 1.00 13.40 C ATOM 625 C6 DT C 110 50.722 39.582 6.294 1.00 12.54 C ATOM 626 P DG C 111 56.840 38.815 8.905 1.00 18.92 P ATOM 627 OP1 DG C 111 57.395 37.605 8.188 1.00 18.54 O ATOM 628 OP2 DG C 111 56.578 38.745 10.381 1.00 19.13 O ATOM 629 O5' DG C 111 57.758 40.065 8.561 1.00 15.83 O ATOM 630 C5' DG C 111 58.127 40.443 7.235 1.00 14.38 C ATOM 631 C4' DG C 111 58.406 41.927 7.165 1.00 14.53 C ATOM 632 O4' DG C 111 57.178 42.671 7.029 1.00 13.20 O ATOM 633 C3' DG C 111 59.125 42.569 8.347 1.00 13.81 C ATOM 634 O3' DG C 111 59.846 43.669 7.818 1.00 14.27 O ATOM 635 C2' DG C 111 57.994 43.071 9.237 1.00 12.60 C ATOM 636 C1' DG C 111 56.906 43.441 8.229 1.00 12.24 C ATOM 637 N9 DG C 111 55.526 43.146 8.590 1.00 11.58 N ATOM 638 C8 DG C 111 55.064 42.082 9.324 1.00 10.39 C ATOM 639 N7 DG C 111 53.764 41.955 9.278 1.00 11.01 N ATOM 640 C5 DG C 111 53.341 43.005 8.471 1.00 10.38 C ATOM 641 C6 DG C 111 52.033 43.395 8.086 1.00 10.26 C ATOM 642 O6 DG C 111 50.957 42.890 8.424 1.00 9.65 O ATOM 643 N1 DG C 111 52.055 44.512 7.240 1.00 10.24 N ATOM 644 C2 DG C 111 53.200 45.171 6.841 1.00 11.27 C ATOM 645 N2 DG C 111 53.046 46.227 6.020 1.00 11.79 N ATOM 646 N3 DG C 111 54.424 44.789 7.177 1.00 10.28 N ATOM 647 C4 DG C 111 54.416 43.724 8.003 1.00 11.08 C ATOM 648 P DA C 112 61.014 44.369 8.703 1.00 16.26 P ATOM 649 OP1 DA C 112 61.966 44.945 7.731 1.00 14.50 O ATOM 650 OP2 DA C 112 61.438 43.439 9.805 1.00 13.61 O ATOM 651 O5' DA C 112 60.287 45.576 9.468 1.00 14.10 O ATOM 652 C5' DA C 112 59.937 46.777 8.745 1.00 14.19 C ATOM 653 C4' DA C 112 58.909 47.557 9.533 1.00 13.26 C ATOM 654 O4' DA C 112 57.688 46.813 9.591 1.00 12.84 O ATOM 655 C3' DA C 112 59.308 47.793 10.985 1.00 12.31 C ATOM 656 O3' DA C 112 59.764 49.146 11.071 1.00 12.52 O ATOM 657 C2' DA C 112 58.041 47.503 11.776 1.00 11.95 C ATOM 658 C1' DA C 112 56.997 47.265 10.730 1.00 12.05 C ATOM 659 N9 DA C 112 56.031 46.250 11.089 1.00 10.52 N ATOM 660 C8 DA C 112 56.171 45.081 11.796 1.00 10.24 C ATOM 661 N7 DA C 112 55.054 44.409 11.928 1.00 9.47 N ATOM 662 C5 DA C 112 54.124 45.169 11.231 1.00 9.80 C ATOM 663 C6 DA C 112 52.735 45.034 11.048 1.00 9.03 C ATOM 664 N6 DA C 112 52.039 44.002 11.494 1.00 9.85 N ATOM 665 N1 DA C 112 52.099 45.985 10.325 1.00 8.98 N ATOM 666 C2 DA C 112 52.806 47.029 9.880 1.00 9.51 C ATOM 667 N3 DA C 112 54.110 47.291 10.033 1.00 9.55 N ATOM 668 C4 DA C 112 54.708 46.318 10.734 1.00 9.70 C ATOM 669 P DT C 113 60.137 49.812 12.465 1.00 12.09 P ATOM 670 OP1 DT C 113 61.081 50.967 12.123 1.00 12.62 O ATOM 671 OP2 DT C 113 60.559 48.737 13.437 1.00 11.41 O ATOM 672 O5' DT C 113 58.780 50.467 12.972 1.00 9.51 O ATOM 673 C5' DT C 113 58.130 51.529 12.301 1.00 8.47 C ATOM 674 C4' DT C 113 56.767 51.734 12.921 1.00 8.02 C ATOM 675 O4' DT C 113 56.026 50.500 12.802 1.00 7.82 O ATOM 676 C3' DT C 113 56.788 52.016 14.411 1.00 7.90 C ATOM 677 O3' DT C 113 56.737 53.431 14.628 1.00 7.75 O ATOM 678 C2' DT C 113 55.547 51.294 14.926 1.00 7.97 C ATOM 679 C1' DT C 113 54.991 50.549 13.730 1.00 8.07 C ATOM 680 N1 DT C 113 54.553 49.166 13.959 1.00 7.59 N ATOM 681 C2 DT C 113 53.310 48.789 13.492 1.00 8.17 C ATOM 682 O2 DT C 113 52.524 49.562 12.967 1.00 8.51 O ATOM 683 N3 DT C 113 53.002 47.471 13.700 1.00 8.02 N ATOM 684 C4 DT C 113 53.780 46.514 14.332 1.00 8.36 C ATOM 685 O4 DT C 113 53.351 45.361 14.434 1.00 9.76 O ATOM 686 C5 DT C 113 55.119 46.951 14.690 1.00 8.03 C ATOM 687 C7 DT C 113 56.055 45.985 15.347 1.00 8.17 C ATOM 688 C6 DT C 113 55.414 48.248 14.528 1.00 7.99 C ATOM 689 P DC C 114 57.501 54.107 15.873 1.00 8.56 P ATOM 690 OP1 DC C 114 57.341 55.576 15.802 1.00 8.84 O ATOM 691 OP2 DC C 114 58.923 53.531 16.020 1.00 7.98 O ATOM 692 O5' DC C 114 56.632 53.557 17.099 1.00 10.06 O ATOM 693 C5' DC C 114 57.107 53.622 18.420 1.00 10.00 C ATOM 694 C4' DC C 114 56.035 53.131 19.359 1.00 10.37 C ATOM 695 O4' DC C 114 55.570 51.831 18.982 1.00 10.13 O ATOM 696 C3' DC C 114 56.563 52.979 20.776 1.00 10.65 C ATOM 697 O3' DC C 114 56.039 54.108 21.455 1.00 12.28 O ATOM 698 C2' DC C 114 56.043 51.639 21.277 1.00 10.34 C ATOM 699 C1' DC C 114 55.109 51.175 20.174 1.00 10.40 C ATOM 700 N1 DC C 114 55.110 49.733 19.889 1.00 11.11 N ATOM 701 C2 DC C 114 53.929 48.983 20.055 1.00 11.36 C ATOM 702 O2 DC C 114 52.947 49.513 20.609 1.00 11.36 O ATOM 703 N3 DC C 114 53.925 47.675 19.681 1.00 9.57 N ATOM 704 C4 DC C 114 55.020 47.133 19.134 1.00 9.92 C ATOM 705 N4 DC C 114 54.986 45.840 18.789 1.00 8.32 N ATOM 706 C5 DC C 114 56.222 47.880 18.955 1.00 11.21 C ATOM 707 C6 DC C 114 56.197 49.178 19.276 1.00 11.79 C ATOM 708 P DA C 115 56.605 54.535 22.873 1.00 15.78 P ATOM 709 OP1 DA C 115 56.306 55.991 23.041 1.00 15.35 O ATOM 710 OP2 DA C 115 58.012 54.083 22.985 1.00 14.11 O ATOM 711 O5' DA C 115 55.654 53.714 23.825 1.00 13.66 O ATOM 712 C5' DA C 115 54.269 54.028 23.911 1.00 14.95 C ATOM 713 C4' DA C 115 53.623 53.069 24.870 1.00 16.29 C ATOM 714 O4' DA C 115 53.500 51.769 24.237 1.00 15.86 O ATOM 715 C3' DA C 115 54.392 52.861 26.193 1.00 16.32 C ATOM 716 O3' DA C 115 53.430 53.078 27.210 1.00 18.50 O ATOM 717 C2' DA C 115 54.852 51.416 26.127 1.00 17.51 C ATOM 718 C1' DA C 115 53.882 50.756 25.158 1.00 14.95 C ATOM 719 N9 DA C 115 54.476 49.654 24.401 1.00 12.92 N ATOM 720 C8 DA C 115 55.793 49.542 24.031 1.00 13.12 C ATOM 721 N7 DA C 115 56.072 48.428 23.402 1.00 10.73 N ATOM 722 C5 DA C 115 54.849 47.785 23.304 1.00 10.35 C ATOM 723 C6 DA C 115 54.477 46.564 22.725 1.00 9.79 C ATOM 724 N6 DA C 115 55.339 45.761 22.093 1.00 9.70 N ATOM 725 N1 DA C 115 53.177 46.191 22.812 1.00 10.56 N ATOM 726 C2 DA C 115 52.322 47.011 23.449 1.00 11.14 C ATOM 727 N3 DA C 115 52.562 48.183 24.048 1.00 10.33 N ATOM 728 C4 DA C 115 53.856 48.524 23.920 1.00 11.70 C ATOM 729 P DC C 116 53.694 52.799 28.783 1.00 16.60 P ATOM 730 OP1 DC C 116 52.827 53.804 29.544 1.00 16.83 O ATOM 731 OP2 DC C 116 55.147 52.683 29.049 1.00 15.54 O ATOM 732 O5' DC C 116 53.108 51.327 28.983 1.00 16.34 O ATOM 733 C5' DC C 116 51.745 51.059 28.657 1.00 16.29 C ATOM 734 C4' DC C 116 51.494 49.569 28.589 1.00 15.90 C ATOM 735 O4' DC C 116 52.261 48.995 27.528 1.00 15.16 O ATOM 736 C3' DC C 116 51.898 48.732 29.794 1.00 16.09 C ATOM 737 O3' DC C 116 50.922 48.763 30.850 1.00 18.21 O ATOM 738 C2' DC C 116 52.000 47.334 29.192 1.00 15.26 C ATOM 739 C1' DC C 116 52.159 47.582 27.685 1.00 15.04 C ATOM 740 N1 DC C 116 53.349 46.986 27.100 1.00 12.02 N ATOM 741 C2 DC C 116 53.266 45.730 26.499 1.00 11.06 C ATOM 742 O2 DC C 116 52.160 45.176 26.412 1.00 9.68 O ATOM 743 N3 DC C 116 54.380 45.181 25.966 1.00 11.31 N ATOM 744 C4 DC C 116 55.532 45.849 26.005 1.00 10.65 C ATOM 745 N4 DC C 116 56.609 45.260 25.482 1.00 9.78 N ATOM 746 C5 DC C 116 55.656 47.099 26.677 1.00 11.93 C ATOM 747 C6 DC C 116 54.553 47.624 27.205 1.00 13.04 C TER 748 DC C 116 HETATM 749 O HOH A 101 45.702 62.724 4.787 1.00 5.85 O HETATM 750 O HOH A 102 41.680 53.351 14.894 1.00 10.99 O HETATM 751 O HOH A 103 57.303 51.253 8.783 1.00 9.17 O HETATM 752 O HOH A 104 65.158 55.042 -1.136 1.00 14.49 O HETATM 753 O HOH A 105 61.134 56.480 10.317 1.00 14.14 O HETATM 754 O HOH A 106 50.332 57.411 20.376 1.00 15.34 O HETATM 755 O HOH A 107 41.960 64.244 18.749 1.00 16.00 O HETATM 756 O HOH A 108 56.764 61.056 -2.792 1.00 15.08 O HETATM 757 O HOH A 109 59.321 54.730 11.344 1.00 12.70 O HETATM 758 O HOH A 110 43.065 62.046 22.462 1.00 17.25 O HETATM 759 O HOH A 111 49.800 62.650 2.511 1.00 16.71 O HETATM 760 O HOH A 112 60.905 58.564 15.608 1.00 20.00 O HETATM 761 O HOH A 113 37.039 67.601 4.412 1.00 11.86 O HETATM 762 O HOH A 114 51.710 56.373 23.706 1.00 15.92 O HETATM 763 O HOH A 115 40.381 60.724 18.009 1.00 16.18 O HETATM 764 O HOH A 116 52.447 61.844 22.721 1.00 16.56 O HETATM 765 O HOH A 117 40.604 56.226 9.106 1.00 14.93 O HETATM 766 O HOH A 118 65.424 50.871 -3.264 1.00 18.26 O HETATM 767 O HOH A 119 66.787 62.130 3.297 1.00 16.63 O HETATM 768 O HOH A 120 47.105 62.914 2.433 1.00 19.22 O HETATM 769 O HOH A 121 42.999 48.003 19.559 1.00 22.43 O HETATM 770 O HOH A 122 54.760 61.231 17.271 1.00 17.05 O HETATM 771 O HOH A 123 51.046 61.028 0.632 1.00 20.62 O HETATM 772 O HOH A 124 56.330 53.815 -2.923 1.00 20.77 O HETATM 773 O HOH A 125 50.400 52.589 25.646 1.00 22.99 O HETATM 774 O HOH A 126 53.097 61.187 4.440 1.00 21.73 O HETATM 775 O HOH A 127 42.942 59.604 23.768 1.00 20.20 O HETATM 776 O HOH A 128 58.611 57.245 17.246 1.00 15.00 O HETATM 777 O HOH B 201 43.686 46.596 6.416 1.00 14.08 O HETATM 778 O HOH B 202 42.017 41.247 22.728 1.00 14.26 O HETATM 779 O HOH B 203 40.264 50.925 8.509 1.00 15.94 O HETATM 780 O HOH B 204 53.379 43.427 16.511 1.00 11.81 O HETATM 781 O HOH B 205 43.578 38.987 16.861 1.00 11.49 O HETATM 782 O HOH B 206 46.058 42.368 15.564 1.00 13.82 O HETATM 783 O HOH B 207 56.582 42.835 20.058 1.00 16.11 O HETATM 784 O HOH B 208 46.722 53.977 2.608 1.00 19.48 O HETATM 785 O HOH B 209 42.837 48.122 3.236 1.00 15.75 O HETATM 786 O HOH B 210 54.955 46.789 3.120 1.00 16.75 O HETATM 787 O HOH B 211 57.451 51.898 0.268 1.00 14.24 O HETATM 788 O HOH B 212 40.833 49.191 6.573 1.00 17.17 O HETATM 789 O HOH B 213 42.193 36.988 18.149 1.00 6.55 O HETATM 790 O HOH B 214 40.195 49.391 16.027 1.00 10.90 O HETATM 791 O HOH B 215 40.590 52.752 10.743 1.00 13.83 O HETATM 792 O HOH B 216 43.133 45.941 9.107 1.00 16.47 O HETATM 793 O HOH B 217 45.625 48.421 -0.810 1.00 12.24 O HETATM 794 O HOH B 218 41.201 52.911 5.120 1.00 12.73 O HETATM 795 O HOH B 219 42.163 37.903 20.803 1.00 14.23 O HETATM 796 O HOH B 220 46.714 45.997 -0.249 1.00 16.21 O HETATM 797 O HOH B 221 40.292 50.910 13.805 1.00 11.91 O HETATM 798 O HOH B 222 48.560 41.796 12.234 1.00 15.80 O HETATM 799 O HOH B 223 45.481 42.337 7.825 1.00 20.24 O HETATM 800 O HOH B 224 55.237 50.776 -5.504 1.00 20.68 O HETATM 801 O HOH B 225 49.404 49.292 -2.830 1.00 21.07 O HETATM 802 O HOH B 226 45.885 44.329 1.821 1.00 16.74 O HETATM 803 O HOH C 201 58.678 48.773 15.782 1.00 11.14 O HETATM 804 O HOH C 202 46.001 40.806 3.786 1.00 18.72 O HETATM 805 O HOH C 203 55.279 41.823 13.076 1.00 10.42 O HETATM 806 O HOH C 204 57.637 40.721 12.107 1.00 14.71 O HETATM 807 O HOH C 205 58.562 51.584 24.097 1.00 22.73 O HETATM 808 O HOH C 206 58.238 47.020 22.214 1.00 11.37 O HETATM 809 O HOH C 207 62.598 44.897 12.119 1.00 18.51 O HETATM 810 O HOH C 208 59.409 50.695 19.616 1.00 14.59 O HETATM 811 O HOH C 209 52.503 56.243 26.452 1.00 17.06 O HETATM 812 O HOH C 210 58.174 42.912 15.751 1.00 15.57 O HETATM 813 O HOH C 211 61.562 46.078 16.482 1.00 14.34 O HETATM 814 O HOH C 212 57.583 44.629 18.078 1.00 10.85 O HETATM 815 O HOH C 213 59.259 46.691 17.655 1.00 12.87 O HETATM 816 O HOH C 214 59.532 51.018 16.863 1.00 15.52 O HETATM 817 O HOH C 215 59.634 48.061 20.030 1.00 13.61 O HETATM 818 O HOH C 216 60.959 46.122 13.765 1.00 15.60 O HETATM 819 O HOH C 217 58.917 44.252 13.481 1.00 15.32 O HETATM 820 O HOH C 218 52.566 40.677 11.609 1.00 20.48 O MASTER 247 0 0 0 5 0 0 6 817 3 0 7 END
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Related entries of code: 4r55
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4r56
RCSB PDB
PDBbind
60aa, >4R56_1|Chains... *
5k07
RCSB PDB
PDBbind
60aa, >5K07_1|Chain... at 100%
5k17
RCSB PDB
PDBbind
60aa, >5K17_1|Chains... at 100%
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RCSB PDB
PDBbind
60aa, >6A2H_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4r56
RCSB PDB
PDBbind
dsDNA-GTGATCAC
Entry Information
PDB ID
4r55
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Cren7 mutant protein GR
Ligand Name
dsDNA-GTGATCAC
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=1.67uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Extremophiles Vol. 19: pp. 395-406
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q97ZE3
Entrez Gene ID
NCBI Entrez Gene ID:
44129907
ASD
Information of known allosteric effects of PDB entries
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